(5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4,5-dibromofuran-2-yl)methylidene]-1,3-thiazolidin-4-one

C20H24Br2N2O2S — CID 6144921

About (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4,5-dibromofuran-2-yl)methylidene]-1,3-thiazolidin-4-one

(5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4,5-dibromofuran-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 6144921) has the molecular formula C20H24Br2N2O2S and a molecular weight of 516.30 g/mol. Its IUPAC name is (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4,5-dibromofuran-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4,5-dibromofuran-2-yl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 6144921
• Molecular Formula: C20H24Br2N2O2S
• Molecular Weight: 516.30 g/mol
• Exact Mass: 513.99
• IUPAC Name: (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4,5-dibromofuran-2-yl)methylidene]-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2cc(Br)c(Br)o2)S/C(=N\C2CCCCC2)N1C1CCCCC1
• InChI: InChI=1S/C20H24Br2N2O2S/c21-16-11-15(26-18(16)22)12-17-19(25)24(14-9-5-2-6-10-14)20(27-17)23-13-7-3-1-4-8-13/h11-14H,1-10H2/b17-12-,23-20-
• InChIKey: QRSVMKQDJUOZPQ-NSMLSGJHSA-N
• XLogP: 6.74
• TPSA: 45.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.30
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4,5-dibromofuran-2-yl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4,5-dibromofuran-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 6144921) is (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4,5-dibromofuran-2-yl)methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4,5-dibromofuran-2-yl)methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4,5-dibromofuran-2-yl)methylidene]-1,3-thiazolidin-4-one is O=C1/C(=C/c2cc(Br)c(Br)o2)S/C(=N\C2CCCCC2)N1C1CCCCC1.

What is the InChIKey of (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4,5-dibromofuran-2-yl)methylidene]-1,3-thiazolidin-4-one?

The InChIKey is QRSVMKQDJUOZPQ-NSMLSGJHSA-N. The full InChI is InChI=1S/C20H24Br2N2O2S/c21-16-11-15(26-18(16)22)12-17-19(25)24(14-9-5-2-6-10-14)20(27-17)23-13-7-3-1-4-8-13/h11-14H,1-10H2/b17-12-,23-20-.

What are the key properties of (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4,5-dibromofuran-2-yl)methylidene]-1,3-thiazolidin-4-one?

(5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4,5-dibromofuran-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 516.30 g/mol, XLogP of 6.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4,5-dibromofuran-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6144921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).